Differences
This shows you the differences between two versions of the page.
Both sides previous revision Previous revision | Last revisionBoth sides next revision | ||
many-body_expansion [2023/10/19 14:15] – [Mixed water–ammonia cluster] may | many-body_expansion [2023/10/19 14:15] – [Single calculation on 64 water molecules in periodic boundary conditions] may | ||
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Line 609: | Line 609: | ||
orient, | orient, | ||
geomtyp=xyz | geomtyp=xyz | ||
- | geom=water64.xyz | + | geometry=water64.xyz |
basis=avdz | basis=avdz | ||
{pbc, | {pbc, |